REMARK  Name = BDB009685
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1       -1.064  -0.173   0.442  0.00  0.00    -0.288 N 
ATOM      2  C   LIG    1        0.220   0.380  -0.056  0.00  0.00    +0.114 C 
ATOM      3  C   LIG    1        0.984  -0.623  -0.968  0.00  0.00    +0.045 C 
ATOM      4  C   LIG    1        0.866  -2.094  -0.527  0.00  0.00    +0.026 C 
ATOM      5  C   LIG    1        0.151  -2.350   0.809  0.00  0.00    +0.055 C 
ATOM      6  C   LIG    1        1.020  -2.022   2.038  0.00  0.00    +0.021 C 
ATOM      7  C   LIG    1       -1.123  -1.496   0.896  0.00  0.00    +0.223 C 
ATOM      8  O   LIG    1       -2.137  -1.955   1.424  0.00  0.00    -0.275 OA
ENDROOT
BRANCH   2   9
ATOM      9  C   LIG    1        0.067   1.716  -0.795  0.00  0.00    -0.026 A 
ATOM     10  C   LIG    1        0.708   2.866  -0.301  0.00  0.00    +0.007 A 
ATOM     11  C   LIG    1        0.589   4.088  -0.966  0.00  0.00    +0.020 A 
ATOM     12  C   LIG    1       -0.169   4.174  -2.131  0.00  0.00    +0.041 A 
ATOM     13 CL   LIG    1       -0.316   5.680  -2.948  0.00  0.00    -0.084 Cl
ATOM     14  C   LIG    1       -0.811   3.047  -2.638  0.00  0.00    +0.020 A 
ATOM     15  C   LIG    1       -0.693   1.823  -1.974  0.00  0.00    +0.007 A 
ENDBRANCH   2   9
BRANCH   3  16
ATOM     16  C   LIG    1        2.437  -0.208  -1.199  0.00  0.00    -0.041 A 
ATOM     17  C   LIG    1        2.832   0.256  -2.466  0.00  0.00    +0.024 A 
ATOM     18  C   LIG    1        4.147   0.663  -2.694  0.00  0.00    +0.041 A 
ATOM     19 CL   LIG    1        4.605   1.233  -4.252  0.00  0.00    -0.084 Cl
ATOM     20  C   LIG    1        5.089   0.614  -1.672  0.00  0.00    +0.020 A 
ATOM     21  C   LIG    1        4.712   0.156  -0.411  0.00  0.00    +0.002 A 
ATOM     22  C   LIG    1        3.396  -0.249  -0.175  0.00  0.00    +0.004 A 
ENDBRANCH   3  16
BRANCH   1  23
ATOM     23  C   LIG    1       -2.101   0.765   0.980  0.00  0.00    +0.105 C 
BRANCH  23  25
ATOM     24  C   LIG    1       -2.640   2.155   3.095  0.00  0.00    +0.006 C 
ATOM     25  C   LIG    1       -1.870   0.987   2.498  0.00  0.00    +0.022 C 
ENDBRANCH  23  25
BRANCH  23  26
ATOM     26  C   LIG    1       -3.578   0.380   0.637  0.00  0.00    +0.132 C 
ATOM     27  C   LIG    1       -3.771  -0.123  -0.792  0.00  0.00    +0.039 C 
BRANCH  26  28
ATOM     28  O   LIG    1       -4.431   1.529   0.780  0.00  0.00    -0.390 OA
ATOM     29  H   LIG    1       -4.179   2.177   0.101  0.00  0.00    +0.210 HD
ENDBRANCH  26  28
ENDBRANCH  23  26
ENDBRANCH   1  23
BRANCH   5  30
ATOM     30  C   LIG    1       -0.294  -3.843   0.885  0.00  0.00    +0.136 C 
BRANCH  30  31
ATOM     31  C   LIG    1        0.801  -4.862   0.709  0.00  0.00    +0.306 C 
ATOM     32  O   LIG    1        1.996  -4.712   0.888  0.00  0.00    -0.251 OA
BRANCH  31  33
ATOM     33  O   LIG    1        0.315  -6.063   0.340  0.00  0.00    -0.481 OA
ATOM     34  H   LIG    1        1.105  -6.641   0.287  0.00  0.00    +0.295 HD
ENDBRANCH  31  33
ENDBRANCH  30  31
ENDBRANCH   5  30
TORSDOF 9